[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C44H34N4Pt — CID 162500086

IUPAC[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(-c2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N4.Pt/c1-32-26-27-45-41(28-32)35-18-11-20-37(29-35)48(38-21-12-19-36(30-38)47-31-46(2)42-24-9-10-25-43(42)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;
InChIKeyUPBYYGHUCFUDRJ-UHFFFAOYSA-N
MW813.86 g/mol
LogP11.22
Rot. Bonds7

About [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 162500086) has the molecular formula C44H34N4Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID162500086
Molecular FormulaC44H34N4Pt
Molecular Weight813.86 g/mol
Exact Mass813.24
IUPAC Name[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(-c2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N4.Pt/c1-32-26-27-45-41(28-32)35-18-11-20-37(29-35)48(38-21-12-19-36(30-38)47-31-46(2)42-24-9-10-25-43(42)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;
InChIKeyUPBYYGHUCFUDRJ-UHFFFAOYSA-N
XLogP11.22
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.86
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499989
[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499995
[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500194
[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500190
3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
CID 158539257
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
CID 140898216
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylphenyl)boranyl]phenyl]-3-(4-methylphenyl)benzimidazol-2-ylidene]platinum
CID 162500130
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500

Frequently Asked Questions

What is the IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 162500086) is [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(-c2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1.
What is the InChIKey of [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is UPBYYGHUCFUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4.Pt/c1-32-26-27-45-41(28-32)35-18-11-20-37(29-35)48(38-21-12-19-36(30-38)47-31-46(2)42-24-9-10-25-43(42)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;.
What are the key properties of [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 813.86 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 162500086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).